2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid

C16H19NO3 — CID 143324738

IUPAC2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid
SMILESC[C@H](c1ccccc1)N1CC(CC(=O)O)C2(CC2)C1=O
InChIInChI=1S/C16H19NO3/c1-11(12-5-3-2-4-6-12)17-10-13(9-14(18)19)16(7-8-16)15(17)20/h2-6,11,13H,7-10H2,1H3,(H,18,19)/t11-,13?/m1/s1
InChIKeyKXVOWRXBJNRLND-JTDNENJMSA-N
MW273.33 g/mol
LogP2.46
Rot. Bonds4

About 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid

2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid (PubChem CID 143324738) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid
PubChem CID143324738
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid
SMILESC[C@H](c1ccccc1)N1CC(CC(=O)O)C2(CC2)C1=O
InChIInChI=1S/C16H19NO3/c1-11(12-5-3-2-4-6-12)17-10-13(9-14(18)19)16(7-8-16)15(17)20/h2-6,11,13H,7-10H2,1H3,(H,18,19)/t11-,13?/m1/s1
InChIKeyKXVOWRXBJNRLND-JTDNENJMSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 70917701
(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 99770501
(1S,5R)-1-acetyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 102533006
(3S,4R)-4-(1-fluoropropyl)-3-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68860633
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
(2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid
CID 142671782
methyl (3R,4R)-4-(2-methoxy-2-oxoethyl)-2-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 11088469
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]imidazolidin-2-one
CID 66713277
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
ethyl 1-[5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]cyclobutane-1-carboxylate
CID 54531199
tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate
CID 22633915

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid?
The IUPAC name of 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid (CID 143324738) is 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid is C[C@H](c1ccccc1)N1CC(CC(=O)O)C2(CC2)C1=O.
What is the InChIKey of 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid?
The InChIKey is KXVOWRXBJNRLND-JTDNENJMSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(12-5-3-2-4-6-12)17-10-13(9-14(18)19)16(7-8-16)15(17)20/h2-6,11,13H,7-10H2,1H3,(H,18,19)/t11-,13?/m1/s1.
What are the key properties of 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid?
2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid is sourced from PubChem (CID 143324738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).